NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9153 8.2300 117.6204 52.2622 39.2288 174.5370 3 R 3.7254 8.7114 117.7322 59.0790 29.7363 176.2125 4 Q 4.0235 8.9348 120.0814 59.5888 29.6827 177.6083 5 Q 4.1257 8.2219 118.4355 58.8960 28.6887 178.7308 6 F 4.0895 8.4142 122.1352 61.2563 39.5689 177.2794 7 I 3.8812 8.1367 112.4090 64.0462 37.1682 177.9655 8 D 4.3318 8.0753 120.3819 57.4735 40.7094 177.8098 9 Y 3.9562 8.0597 119.7929 60.6729 38.8125 178.1311 10 A 4.1038 7.8840 121.6458 55.2316 18.3997 179.3825 11 Q 4.1228 7.9983 117.6897 58.9986 28.8516 178.6314 12 K 3.8727 7.5881 118.4730 59.1776 32.5897 179.2640 13 K 3.6191 7.4590 116.3834 58.0729 31.9543 177.2968 14 Y 4.4186 7.2001 113.6315 55.9320 40.5245 174.5680 15 D 5.2747 7.8671 117.1141 54.7604 39.6249 172.9481 16 T 4.6808 8.0308 112.9522 61.4220 70.8230 174.1271 17 K 4.4216 8.4252 127.1580 53.9354 33.4778 174.1933 18 P 3.5008 0.0000 0.0000 62.9532 31.7963 175.2472 19 D 4.7306 8.0980 122.4332 53.0410 43.9876 175.1299 20 H 5.1038 8.3046 117.5405 53.2915 29.0785 171.4204 21 P 4.0893 0.0000 0.0000 64.4885 31.9084 177.2391 22 W 4.6606 8.0616 119.3450 55.4947 29.7226 176.9525 23 E 4.1050 9.0498 122.5522 59.2161 29.5166 178.5330 24 K 3.8626 8.2617 117.8122 58.0862 32.5715 176.6361 25 F 4.4287 7.6642 117.3074 54.2067 38.8820 173.7213 26 P 4.4343 0.0000 0.0000 65.3072 31.7179 178.0901 27 D 4.5817 8.2429 117.2436 57.2271 41.0950 176.8026 28 Y 4.4414 7.8072 114.9062 58.8213 38.3775 175.7929 29 A 4.9804 9.4963 125.9323 50.3712 22.8084 175.2238 30 V 4.6909 8.3113 115.0333 59.4787 35.1407 174.9464 31 F 4.8344 9.0034 121.7679 55.6602 41.8186 174.6226 32 R 5.7739 8.3528 118.8376 53.6027 33.4032 174.1638 33 H 4.8820 8.9215 115.3986 55.2737 29.8695 177.0542 34 S 4.3126 8.8937 115.1560 60.6446 62.8640 174.7496 35 D 4.3891 7.9667 120.3981 55.8418 40.1400 175.8413 36 N 4.6066 8.6146 121.7257 52.8717 38.6574 175.5271 37 D 5.0607 7.9905 116.2314 54.6844 38.8859 173.1209 38 K 4.5287 8.6289 119.3116 55.4947 33.3856 176.7142 39 W 5.1424 9.1924 125.6634 57.1937 29.5481 175.4878 40 Y 5.2649 9.3188 120.2329 56.4428 39.1903 175.1855 41 A 4.9685 7.7566 120.4787 51.2670 23.1216 175.0211 42 L 4.9481 9.0857 124.8105 53.2839 44.7745 175.3654 43 L 4.7854 9.2675 129.2529 53.0865 44.5332 175.0551 *45 D 5.0788 8.6959 121.7615 54.3019 41.9563 174.1911 46 I 4.7408 8.4795 119.2843 57.9692 41.9929 173.1600 47 P 4.4558 0.0000 0.0000 62.1330 32.0777 177.3126 48 A 3.8089 9.0918 126.5145 55.3998 18.0539 179.3996 49 E 3.9812 8.0250 116.5677 59.0992 29.2502 179.3378 50 K 3.8397 7.5043 118.1919 57.9114 32.0334 177.2298 51 I 4.4088 7.1950 111.2595 60.2234 37.8854 175.8531 52 G 4.1653 8.5623 112.8006 46.3834 0.0000 175.0548 53 I 3.8883 7.1968 120.1184 60.5464 38.9693 175.5715 54 N 5.0314 8.4697 126.8370 53.2352 38.9385 170.3195 55 G 3.9353 8.7086 113.9338 45.6984 0.0000 174.3094 56 D 4.6454 8.4509 125.3785 53.1477 39.7842 174.4634 57 K 4.7626 7.3547 120.9918 55.1080 37.2015 177.0855 58 R 4.8724 8.4123 119.5961 55.4034 32.3084 175.9867 59 V 4.5083 8.8957 112.4386 60.1668 36.3697 173.8520 60 D 5.1201 8.5677 122.5982 52.8426 42.6495 175.9025 61 V 4.7223 8.1393 115.6871 59.3256 36.5470 174.3573 62 I 4.7318 8.4589 115.4746 59.2615 40.8826 173.8102 63 D 5.5923 9.1770 125.1158 52.9403 43.0685 175.4790 64 L 5.2459 9.1249 122.4705 52.8190 45.9822 175.3481 65 K 3.8422 8.5710 123.5725 55.2920 33.6387 175.9147 66 V 4.5082 8.0595 119.2558 59.4075 36.4346 174.9456 67 Q 4.1810 8.4723 120.5718 54.8088 28.9762 175.6879 68 P 4.2379 0.0000 0.0000 64.9990 31.0180 177.2922 69 E 4.1176 8.0877 113.8142 56.9622 30.1319 177.1700 70 L 4.5416 8.3586 119.8811 55.1592 42.8749 178.3727 71 V 3.6805 7.3462 118.9419 65.8270 31.1716 178.1086 72 G 3.5774 7.9535 104.1893 47.8429 0.0000 175.4014 73 S 4.2812 7.9457 116.7515 60.8746 63.1805 176.2636 74 L 3.9089 8.1968 122.9984 57.7139 41.2838 179.6616 75 R 3.8849 7.6734 116.1106 59.0180 30.0505 178.6704 76 K 4.1207 7.5166 116.6901 57.4628 32.6916 177.6339 77 K 4.2085 7.9078 119.6000 55.0729 32.7394 174.2160 78 P 4.2923 0.0000 0.0000 63.5908 32.1485 176.6467 79 G 4.0907 8.8438 110.6002 44.7090 0.0000 172.3096 80 I 4.9219 6.6637 119.5986 59.8076 39.1990 174.6349 81 Y 4.7869 9.0080 123.6268 55.0130 42.3856 173.0572 82 P 4.7466 0.0000 0.0000 62.3327 32.1628 176.7649 83 A 4.1484 8.8202 124.5361 53.0215 18.8483 176.1655 84 Y 4.4975 8.8333 123.6669 57.0418 40.3080 175.1065 85 H 3.5274 7.9393 124.2368 56.7469 26.0095 174.4203 *87 N 4.5233 7.9272 116.4351 53.2879 39.6359 174.9386 88 K 4.1286 8.7927 125.1724 59.1773 32.2280 177.8470 89 E 4.2884 8.6944 117.5183 57.8112 29.8898 177.1866 90 H 4.8356 8.3999 113.8324 54.7447 31.8602 173.1684 91 W 5.2610 8.6972 117.0671 54.8591 32.3241 175.1963 92 I 4.8685 8.8945 121.0005 60.0373 41.4422 174.6456 93 T 5.2004 8.6906 121.5712 61.1826 71.0388 173.1961 94 V 4.6911 8.9866 127.6001 61.0636 33.7226 174.3770 95 L 4.4684 8.8488 131.1428 54.5372 42.3163 176.4187 96 L 4.1907 8.6465 127.0989 54.7866 42.5492 176.2744 97 N 4.1855 8.8863 116.0833 54.6878 35.6420 174.0643 98 G 4.4383 7.5914 107.3021 42.8292 0.0000 172.3602 99 P 4.0242 0.0000 0.0000 64.4091 31.4354 176.3519 100 L 4.1426 7.2375 122.1560 54.3694 42.7935 177.1150 101 G 3.7323 8.5151 112.3943 44.2450 0.0000 174.2646 102 A 3.8886 8.6193 125.7727 54.9351 18.3386 180.1586 103 K 3.7154 7.8122 117.2811 59.7502 32.5489 178.4439 104 E 3.9421 8.1162 119.0084 59.3853 29.4016 178.7538 105 I 3.7497 8.2222 120.1704 64.6173 37.1593 177.9733 106 H 4.0516 8.4294 117.6971 58.8833 28.5082 178.0111 107 S 4.2244 8.1012 115.9007 61.4778 62.8126 176.5713 108 L 4.0789 7.8891 122.2192 57.5374 41.3680 179.4599 109 I 3.8701 8.2384 120.1580 64.3760 36.9719 178.1479 110 E 4.3178 8.2512 121.4543 58.9577 29.5854 178.4463 111 D 4.3890 8.6882 119.3282 57.6460 40.6967 178.9073 112 S 4.3147 8.1304 113.7891 60.5819 62.5961 175.7086 113 F 3.8427 8.0851 123.3797 61.4555 38.9486 177.3138 114 Q 3.9796 8.4532 117.7403 58.5600 28.2703 178.1083 115 L 4.1513 7.9118 120.2837 56.6897 42.1228 177.2317 116 T 4.5304 6.9930 106.4839 61.2869 69.3911 173.9267 117 R 3.4784 7.3628 127.7820 56.8789 29.9493 176.0792 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.23 4.92 0.00 2.95 3.06 0.00 0.00 5.72 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.71 3.73 0.00 2.17 2.05 0.00 3.39 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 4 Q 8.93 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 Q 8.22 4.13 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 6 F 8.41 4.09 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.14 3.88 2.23 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.67 1.38 0.00 0.00 8 D 8.08 4.33 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.06 3.96 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.88 4.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.00 4.12 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 K 7.59 3.87 0.00 1.55 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.55 7.81 13 K 7.46 3.62 0.00 0.79 0.74 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.68 0.22 7.81 14 Y 7.20 4.42 0.00 3.09 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.87 5.27 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.03 4.68 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 17 K 8.43 4.42 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 P 0.00 3.50 0.00 1.84 1.64 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 19 D 8.10 4.73 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.30 5.10 0.00 3.01 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.09 0.00 0.65 1.64 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.79 0.00 22 W 8.06 4.66 0.00 3.64 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.05 4.10 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 24 K 8.26 3.86 0.00 1.80 1.32 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.34 1.46 7.81 25 F 7.66 4.43 0.00 2.68 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.43 0.00 2.03 2.11 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 27 D 8.24 4.58 0.00 2.90 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.81 4.44 0.00 3.23 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.50 4.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.31 4.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.13 0.00 0.00 31 F 9.00 4.83 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.35 5.77 0.00 2.02 2.13 0.00 2.88 0.00 0.00 3.77 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 33 H 8.92 4.88 0.00 3.36 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.89 4.31 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.97 4.39 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.61 4.61 0.00 2.82 2.91 0.00 0.00 5.99 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.99 5.06 0.00 2.91 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.63 4.53 0.00 1.94 1.90 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.63 7.81 39 W 9.19 5.14 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 9.32 5.26 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.76 4.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.09 4.95 0.00 1.73 1.50 0.85 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.27 4.79 0.00 1.84 1.86 0.65 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *45 D 8.70 5.08 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.48 4.74 1.51 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.48 0.64 0.00 0.00 47 P 0.00 4.46 0.00 2.13 1.98 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 48 A 9.09 3.81 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.02 3.98 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 50 K 7.50 3.84 0.00 1.43 1.38 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.48 7.81 51 I 7.20 4.41 1.58 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.15 0.59 0.00 0.00 52 G 8.56 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.20 3.89 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.71 0.00 0.00 54 N 8.47 5.03 0.00 2.84 2.82 0.00 0.00 6.19 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.71 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.45 4.65 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.35 4.76 0.00 1.78 1.81 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.38 7.81 58 R 8.41 4.87 0.00 1.68 1.98 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 59 V 8.90 4.51 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.80 0.00 0.00 60 D 8.57 5.12 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.14 4.72 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.74 0.00 0.00 62 I 8.46 4.73 1.57 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.88 -0.18 0.00 0.00 63 D 9.18 5.59 0.00 2.70 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.12 5.25 0.00 1.70 1.55 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.57 3.84 0.00 0.79 1.10 0.00 1.30 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.95 0.50 7.81 66 V 8.06 4.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 67 Q 8.47 4.18 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 68 P 0.00 4.24 0.00 2.15 2.25 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 69 E 8.09 4.12 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 70 L 8.36 4.54 0.00 1.75 1.70 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.35 3.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.95 0.00 0.00 72 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.95 4.28 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.20 3.91 0.00 1.92 1.75 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.67 3.88 0.00 1.86 1.99 0.00 3.20 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 76 K 7.52 4.12 0.00 1.94 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 77 K 7.91 4.21 0.00 1.86 1.67 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.34 7.81 78 P 0.00 4.29 0.00 2.14 2.00 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 79 G 8.84 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 6.66 4.92 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.92 0.00 0.00 81 Y 9.01 4.79 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.75 0.00 2.04 2.06 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 83 A 8.82 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.83 4.50 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.94 3.53 0.00 2.84 3.12 0.00 5.80 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 N 7.93 4.52 0.00 2.84 3.05 0.00 0.00 7.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.79 4.13 0.00 1.84 1.92 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 89 E 8.69 4.29 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 90 H 8.40 4.84 0.00 3.24 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.70 5.26 0.00 3.31 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.89 4.87 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.98 0.00 0.00 93 T 8.69 5.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 94 V 8.99 4.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 95 L 8.85 4.47 0.00 1.76 1.83 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.65 4.19 0.00 1.69 1.54 0.72 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.89 4.19 0.00 2.97 2.89 0.00 0.00 6.58 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.59 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.02 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 100 L 7.24 4.14 0.00 1.48 1.60 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.52 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.62 3.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.81 3.72 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 E 8.12 3.94 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 105 I 8.22 3.75 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.94 0.00 0.00 106 H 8.43 4.05 0.00 3.22 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.10 4.22 0.00 4.12 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.89 4.08 0.00 1.96 1.81 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.24 3.87 2.31 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.13 1.18 0.00 0.00 110 E 8.25 4.32 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 111 D 8.69 4.39 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.13 4.31 0.00 3.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.09 3.84 0.00 2.70 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.45 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 115 L 7.91 4.15 0.00 1.89 1.60 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 116 T 6.99 4.53 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 117 R 7.36 3.48 0.00 1.78 1.71 0.00 3.39 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.